AC1NPERF
3-[5-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid
Also Known As: 3-[5-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid|3-[5-({3-Ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid
CAS: 5317-97-5
| Molecular Formula | C27H20IN3O8S |
|---|---|
| Molecular Weight | 673.0016 g/mol |
| LogP | 4.7066 |
| Topological Polar Surface Area | 148.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 673.0016 |
| Monoisotopic Mass | 673.0016 |
| Heavy Atoms | 40 |
| Complexity | 1572.4434 |
Chemical Identifiers
| CAS Number | 5317-97-5 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)I)OCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AC1NPERF (CAS 5317-97-5), with molecular formula C27H20IN3O8S and molecular weight 673.0016 g/mol. IUPAC: 3-[5-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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